Geometry & MOs

Info

ID:	420570
PubChem CID:	135114014
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	301.153875
ΔH_f, kcal/mol:	-208.23
Dipole, Da:	2.76
IP(EA), eV:	-8.39(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopropyl-N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CCOC(C)(C)C(=O)N1CCC2(CC1)C3=CC(=C(C=C3CCO2)OC)OC

DOS

IR

Vibrations